element(s):
['Cs']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0985', '3.6231244']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[5.0985, 0, 0], [0, 5.0985, 0], [0, 0, 18.4725]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:11       -3.026028         0.050731
BFGS:    1 16:21:11       -3.026105         0.050235
BFGS:    2 16:21:11       -3.029538         0.014991
BFGS:    3 16:21:11       -3.029834         0.003061
BFGS:    4 16:21:11       -3.029836         0.002611
BFGS:    5 16:21:11       -3.029836         0.002581
BFGS:    6 16:21:11       -3.029841         0.000025
BFGS:    7 16:21:11       -3.029841         0.000001
BFGS:    8 16:21:11       -3.029841         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.9291923590630338e-33 eV/Angstrom
Maximum stress component: 4.19197593979814e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 5.79665652e-37 3.85188959e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [9.24106486e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.008469712736192, -4.08171954984248e-38, 2.7658447013295677e-40], [3.639436815855242e-38, 5.008469712736192, 4.6682381035312456e-18], [7.575543461815065e-38, 1.7122002695701974e-17, 18.389565614470293]])
forces =  [[-4.82298090e-34  2.41149045e-34  2.24767489e-52]
 [-4.82298090e-34 -8.44021657e-34  1.32813807e-33]
 [ 1.68804331e-33 -1.92919236e-33 -1.79813991e-51]
 [ 1.44689427e-33  1.08517070e-33  1.01145370e-51]]
stress =  [3.40550436e-12 3.40550436e-12 4.19197594e-11 4.06672264e-26
 8.36419125e-36 8.05263664e-51]
energy per atom =  -0.7574601793646771
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0